(S)-3-Acetyl-1-Boc-pyrrolidine - CAS 1374673-89-8

Catalog:	BB075500
Product Name:	(S)-3-Acetyl-1-Boc-pyrrolidine
CAS:	1374673-89-8
Synonyms:	(3S)-3-Acetyl-1-pyrrolidinecarboxylic Acid 1,1-Dimethylethyl Ester; (S)-tert-Butyl 3-Acetylpyrrolidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate
Description:	(S)-3-Acetyl-1-Boc-pyrrolidine is used as a reagent in the synthesis of pyridopyrazine compounds as novel spleen tyrosine kinase (Syk) inhibitors for the treatment of inflammatory diseases.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1
InChI Key:	WTNNGFYIEBJFPX-VIFPVBQESA-N
References:	Su, W., et al. PCT Int. Appl. WO 2012167423 A1 20121213. Dec 13, 2012.

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9